메뉴 건너뛰기




Volumn 127, Issue 11, 2007, Pages

Ab initio statistical mechanics of surface adsorption and desorption. I. H2 O on MgO (001) at low coverage

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL POTENTIAL; COMPUTER SIMULATION; DESORPTION; INTEGRAL EQUATIONS; MOLECULAR DYNAMICS; STATISTICAL MECHANICS;

EID: 34648840353     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2772258     Document Type: Article
Times cited : (20)

References (44)
  • 19
    • 0037021336 scopus 로고    scopus 로고
    • 0031-9007 10.1103/PhysRevLett.89.196103
    • K. A. Fichthorn and R. A. Miron, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.89.196103 89, 196103 (2002); K. E. Becker and K. A. Fichthorn, J. Chem. Phys. 125, 184706 (2006).
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 196103
    • Fichthorn, K.A.1    Miron, R.A.2
  • 20
    • 33750985406 scopus 로고    scopus 로고
    • K. A. Fichthorn and R. A. Miron, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.89.196103 89, 196103 (2002); K. E. Becker and K. A. Fichthorn, J. Chem. Phys. 125, 184706 (2006).
    • (2006) J. Chem. Phys. , vol.125 , pp. 184706
    • Becker, K.E.1    Fichthorn, K.A.2
  • 21
    • 0003752338 scopus 로고
    • Cambridge University Press, Cambridge
    • See, e.g., A. Zangwill, Physics at Surfaces (Cambridge University Press, Cambridge, 1988), Chap..
    • (1988) Physics at Surfaces
    • Zangwill, A.1
  • 22
    • 84943502952 scopus 로고
    • 0026-8976 10.1080/00268978400101201
    • S. Noś, Mol. Phys. 0026-8976 10.1080/00268978400101201 52, 255 (1984); S. Noś, J. Chem. Phys. 81, 511 (1984).
    • (1984) Mol. Phys. , vol.52 , pp. 255
    • Noś, S.1
  • 23
    • 34547809547 scopus 로고
    • S. Noś, Mol. Phys. 0026-8976 10.1080/00268978400101201 52, 255 (1984); S. Noś, J. Chem. Phys. 81, 511 (1984).
    • (1984) J. Chem. Phys. , vol.81 , pp. 511
    • Noś, S.1
  • 28
    • 35448982349 scopus 로고
    • 0021-9606 10.1063/1.470256
    • See, e.g., W. Langel and M. Parrinello, J. Chem. Phys. 0021-9606 10.1063/1.470256 103, 3240 (1995); K. Refson, R. A. Wogelius, D. G. Fraser, M. C. Payne, M. H. Lee, and V. Milman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.52. 10823 52, 10823 (1995); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1271 81, 1271 (2000); M. Odelius, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.3919 82, 3919 (1999); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.15406 62, 15406 (2000); L. Delle Site, A. Alavi, and R. Lynden-Bell, J. Chem. Phys. 0021-9606 10.1063/1.1287276 113, 3344 (2000); R. M. Lynden-Bell, L. Delle Site, and A. Alavi, Surf. Sci. 496, L1 (2002).
    • (1995) J. Chem. Phys. , vol.103 , pp. 3240
    • Langel, W.1    Parrinello, M.2
  • 29
    • 0001418171 scopus 로고
    • 0163-1829 10.1103/PhysRevB.52.10823
    • See, e.g., W. Langel and M. Parrinello, J. Chem. Phys. 0021-9606 10.1063/1.470256 103, 3240 (1995); K. Refson, R. A. Wogelius, D. G. Fraser, M. C. Payne, M. H. Lee, and V. Milman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.52. 10823 52, 10823 (1995); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1271 81, 1271 (2000); M. Odelius, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.3919 82, 3919 (1999); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.15406 62, 15406 (2000); L. Delle Site, A. Alavi, and R. Lynden-Bell, J. Chem. Phys. 0021-9606 10.1063/1.1287276 113, 3344 (2000); R. M. Lynden-Bell, L. Delle Site, and A. Alavi, Surf. Sci. 496, L1 (2002).
    • (1995) Phys. Rev. B , vol.52 , pp. 10823
    • Refson, K.1    Wogelius, R.A.2    Fraser, D.G.3    Payne, M.C.4    Lee, M.H.5    Milman, V.6
  • 30
    • 0000176082 scopus 로고    scopus 로고
    • 0031-9007 10.1103/PhysRevLett.81.1271
    • See, e.g., W. Langel and M. Parrinello, J. Chem. Phys. 0021-9606 10.1063/1.470256 103, 3240 (1995); K. Refson, R. A. Wogelius, D. G. Fraser, M. C. Payne, M. H. Lee, and V. Milman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.52. 10823 52, 10823 (1995); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1271 81, 1271 (2000); M. Odelius, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.3919 82, 3919 (1999); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.15406 62, 15406 (2000); L. Delle Site, A. Alavi, and R. Lynden-Bell, J. Chem. Phys. 0021-9606 10.1063/1.1287276 113, 3344 (2000); R. M. Lynden-Bell, L. Delle Site, and A. Alavi, Surf. Sci. 496, L1 (2002).
    • (2000) Phys. Rev. Lett. , vol.81 , pp. 1271
    • Giordano, L.1    Goniakowski, J.2    Suzanne, J.3
  • 31
    • 18344380853 scopus 로고    scopus 로고
    • 0031-9007 10.1103/PhysRevLett.82.3919
    • See, e.g., W. Langel and M. Parrinello, J. Chem. Phys. 0021-9606 10.1063/1.470256 103, 3240 (1995); K. Refson, R. A. Wogelius, D. G. Fraser, M. C. Payne, M. H. Lee, and V. Milman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.52. 10823 52, 10823 (1995); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1271 81, 1271 (2000); M. Odelius, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.3919 82, 3919 (1999); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.15406 62, 15406 (2000); L. Delle Site, A. Alavi, and R. Lynden-Bell, J. Chem. Phys. 0021-9606 10.1063/1.1287276 113, 3344 (2000); R. M. Lynden-Bell, L. Delle Site, and A. Alavi, Surf. Sci. 496, L1 (2002).
    • (1999) Phys. Rev. Lett. , vol.82 , pp. 3919
    • Odelius, M.1
  • 32
    • 0034670758 scopus 로고    scopus 로고
    • 0163-1829 10.1103/PhysRevB.62.15406
    • See, e.g., W. Langel and M. Parrinello, J. Chem. Phys. 0021-9606 10.1063/1.470256 103, 3240 (1995); K. Refson, R. A. Wogelius, D. G. Fraser, M. C. Payne, M. H. Lee, and V. Milman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.52. 10823 52, 10823 (1995); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1271 81, 1271 (2000); M. Odelius, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.3919 82, 3919 (1999); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.15406 62, 15406 (2000); L. Delle Site, A. Alavi, and R. Lynden-Bell, J. Chem. Phys. 0021-9606 10.1063/1.1287276 113, 3344 (2000); R. M. Lynden-Bell, L. Delle Site, and A. Alavi, Surf. Sci. 496, L1 (2002).
    • (2000) Phys. Rev. B , vol.62 , pp. 15406
    • Giordano, L.1    Goniakowski, J.2    Suzanne, J.3
  • 33
    • 0034702689 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.1287276
    • See, e.g., W. Langel and M. Parrinello, J. Chem. Phys. 0021-9606 10.1063/1.470256 103, 3240 (1995); K. Refson, R. A. Wogelius, D. G. Fraser, M. C. Payne, M. H. Lee, and V. Milman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.52. 10823 52, 10823 (1995); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1271 81, 1271 (2000); M. Odelius, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.3919 82, 3919 (1999); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.15406 62, 15406 (2000); L. Delle Site, A. Alavi, and R. Lynden-Bell, J. Chem. Phys. 0021-9606 10.1063/1.1287276 113, 3344 (2000); R. M. Lynden-Bell, L. Delle Site, and A. Alavi, Surf. Sci. 496, L1 (2002).
    • (2000) J. Chem. Phys. , vol.113 , pp. 3344
    • Delle Site, L.1    Alavi, A.2    Lynden-Bell, R.3
  • 34
    • 0036133273 scopus 로고    scopus 로고
    • See, e.g., W. Langel and M. Parrinello, J. Chem. Phys. 0021-9606 10.1063/1.470256 103, 3240 (1995); K. Refson, R. A. Wogelius, D. G. Fraser, M. C. Payne, M. H. Lee, and V. Milman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.52. 10823 52, 10823 (1995); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1271 81, 1271 (2000); M. Odelius, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.3919 82, 3919 (1999); L. Giordano, J. Goniakowski, and J. Suzanne, Phys. Rev. B 0163-1829 10.1103/PhysRevB.62.15406 62, 15406 (2000); L. Delle Site, A. Alavi, and R. Lynden-Bell, J. Chem. Phys. 0021-9606 10.1063/1.1287276 113, 3344 (2000); R. M. Lynden-Bell, L. Delle Site, and A. Alavi, Surf. Sci. 496, L1 (2002).
    • (2002) Surf. Sci. , vol.496 , pp. 1
    • Lynden-Bell, R.M.1    Delle Site, L.2    Alavi, A.3
  • 39
    • 0035821044 scopus 로고    scopus 로고
    • 0031-9007 10.1103/PhysRevLett.86.4338
    • K. R. Paserba and A. J. Gellman, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.4338 86, 4338 (2001); S. L. Tait, Z. Dohnálek, C. T. Campbell, and B. D. Kay, J. Chem. Phys. 0021-9606 10.1063/1.1883629 122, 164707 (2005); S. L. Tait, Z. Dohnálek, C. T. Campbell, and B. D. Kay, J. Chem. Phys. 122, 164708 (2005).
    • (2001) Phys. Rev. Lett. , vol.86 , pp. 4338
    • Paserba, K.R.1    Gellman, A.J.2
  • 40
    • 21244502564 scopus 로고    scopus 로고
    • 0021-9606 10.1063/1.1883629
    • K. R. Paserba and A. J. Gellman, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.4338 86, 4338 (2001); S. L. Tait, Z. Dohnálek, C. T. Campbell, and B. D. Kay, J. Chem. Phys. 0021-9606 10.1063/1.1883629 122, 164707 (2005); S. L. Tait, Z. Dohnálek, C. T. Campbell, and B. D. Kay, J. Chem. Phys. 122, 164708 (2005).
    • (2005) J. Chem. Phys. , vol.122 , pp. 164707
    • Tait, S.L.1    Dohnálek, Z.2    Campbell, C.T.3    Kay, B.D.4
  • 41
    • 21244476417 scopus 로고    scopus 로고
    • K. R. Paserba and A. J. Gellman, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.86.4338 86, 4338 (2001); S. L. Tait, Z. Dohnálek, C. T. Campbell, and B. D. Kay, J. Chem. Phys. 0021-9606 10.1063/1.1883629 122, 164707 (2005); S. L. Tait, Z. Dohnálek, C. T. Campbell, and B. D. Kay, J. Chem. Phys. 122, 164708 (2005).
    • (2005) J. Chem. Phys. , vol.122 , pp. 164708
    • Tait, S.L.1    Dohnálek, Z.2    Campbell, C.T.3    Kay, B.D.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.